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PTERULAMIDE_IV;E-CINNAMOYL-NME-ALA-NME-ILE-NME-VAL-NH-VAL-NME-ILE-NHME
SpectraBase Compound ID IvkUbTXhwHn
InChI InChI=1S/C39H64N6O6/c1-15-26(7)33(35(47)40-10)44(13)38(50)31(24(3)4)41-36(48)32(25(5)6)43(12)39(51)34(27(8)16-2)45(14)37(49)28(9)42(11)30(46)23-22-29-20-18-17-19-21-29/h17-28,31-34H,15-16H2,1-14H3,(H,40,47)(H,41,48)/b23-22+/t26-,27-,28+,31+,32+,33+,34+/m1/s1
InChIKey MTNPSCWSPJPMKI-HKNNHXRXSA-N
Mol Weight 713.0 g/mol
Molecular Formula C39H64N6O6
Exact Mass 712.488734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eyx8lXKNzGl
Name PTERULAMIDE_IV;E-CINNAMOYL-NME-ALA-NME-ILE-NME-VAL-NH-VAL-NME-ILE-NHME
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H64N6O6
InChI InChI=1S/C39H64N6O6/c1-15-26(7)33(35(47)40-10)44(13)38(50)31(24(3)4)41-36(48)32(25(5)6)43(12)39(51)34(27(8)16-2)45(14)37(49)28(9)42(11)30(46)23-22-29-20-18-17-19-21-29/h17-28,31-34H,15-16H2,1-14H3,(H,40,47)(H,41,48)/b23-22+/t26-,27-,28+,31+,32+,33+,34+/m1/s1
InChIKey MTNPSCWSPJPMKI-HKNNHXRXSA-N
Literature Reference Author G.LANG,M.I.MITOVA,A.L.J.COLE,L.B.DIN,S.VIKINESWARY,N.ABDULLA H,J.W.BLUNT,M.H.G.MU
Literature Reference Citation J.NAT.PROD.,69,1389(2006)
Literature Reference DOI 10.1021/np0600245
Molecular Weight 712.974 g/mol
Solvent CDCl3
Source File Reference UWMZ15739